By using polarizable molecular dynamics (MD) simulations of lanthanoid(III) and actinoid(III) ions in water, we obtained ionic diffusion coefficients and hydration enthalpies for both series. These values are in good agreement with experiments. Simulations thus allow us to relate them to microscopic structure. In particular, across the series the diffusion coefficients decrease, reflecting the ...

The thesis, “Fluoride as Ligand. Chemistry of some new Terminal and Bridged Systems” con sists of two parts. First part (Part I: Thesis), the proper thesis, consists of an introduction to the research area together with a description of a selection of results obtained during the project. Second part (Part II: Publications) is a complete collection of the scientific papers (Paper 1–10) at prese...

The trends in the series of lanthanoid (lanthanide) trifluoride molecules LnF3 (Ln = La to Lu) are governed by the valence-active Ln(4f,5d,5p,6s) shells. The series is investigated by quasi-relativistic density functional theory at both the scalar and spin-orbit-coupled levels. Integrating many of the previous experimental and theoretical deductions, we obtain the following comprehensive pictur...

Mammalian members of the classical transient receptor potential channel subfamily (TRPC) are Ca(2+)-permeable cation channels involved in receptor-mediated increases in intracellular Ca(2+). TRPC4 and TRPC5 form a group within the TRPC subfamily and are activated in a phospholipase C-dependent manner by an unidentified messenger. Unlike most other Ca(2+)-permeable channels, TRPC4 and -5 are pot...

This chapter gives an overview on the chemistry of tetravalent lanthanide compounds, especially those of tetravalent cerium. Following a brief Introduction it covers the tetrahalides, dioxides and other lanthanides(IV) salts. Coordination compounds of cerium in the oxidation state +4 include halogeno complexes and complexes of oxo acids, β-diketonates and related Schiff-base complexes as well a...